1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane

C15H27ClO — CID 143667993

IUPAC1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane
SMILESCC.CC.CCc1ccc(Cl)c(OC(C)C)c1
InChIInChI=1S/C11H15ClO.2C2H6/c1-4-9-5-6-10(12)11(7-9)13-8(2)3;2*1-2/h5-8H,4H2,1-3H3;2*1-2H3
InChIKeyCEBQRGFMYDEBLZ-UHFFFAOYSA-N
MW258.83 g/mol
LogP5.74
Rot. Bonds3

About 1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane

1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane (PubChem CID 143667993) has the molecular formula C15H27ClO and a molecular weight of 258.83 g/mol. Its IUPAC name is 1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane.

Molecular Properties

Compound Name1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane
PubChem CID143667993
Molecular FormulaC15H27ClO
Molecular Weight258.83 g/mol
Exact Mass258.18
IUPAC Name1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane
SMILESCC.CC.CCc1ccc(Cl)c(OC(C)C)c1
InChIInChI=1S/C11H15ClO.2C2H6/c1-4-9-5-6-10(12)11(7-9)13-8(2)3;2*1-2/h5-8H,4H2,1-3H3;2*1-2H3
InChIKeyCEBQRGFMYDEBLZ-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.83
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane?
The IUPAC name of 1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane (CID 143667993) is 1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane.
What is the SMILES notation for 1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane?
The canonical SMILES for 1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane is CC.CC.CCc1ccc(Cl)c(OC(C)C)c1.
What is the InChIKey of 1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane?
The InChIKey is CEBQRGFMYDEBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO.2C2H6/c1-4-9-5-6-10(12)11(7-9)13-8(2)3;2*1-2/h5-8H,4H2,1-3H3;2*1-2H3.
What are the key properties of 1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane?
1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane has a molecular weight of 258.83 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane is sourced from PubChem (CID 143667993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).